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Igashov, I., Stärk, H., Vignac, C., Schneuing, A., Satorras, V. G., Frossard, P., Welling, M., Bronstein, M., & Correia, B. (2024). Equivariant 3D-conditional diffusion model for molecular linker design. Nature Machine Intelligence, 6(4), 417–427. https://doi.org/10.1038/s42256-024-00815-9 -
Schneuing, A., Harris, C., Du, Y., Didi, K., Jamasb, A., Igashov, I., Du, W., Gomes, C., Blundell, T. L., Lio, P., Welling, M., Bronstein, M., & Correia, B. (2024). Structure-based drug design with equivariant diffusion models. Nature Computational Science, 4(12), 899-909. https://doi.org/10.1038/s43588-024-00737-x
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